HRID1119296

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID923

Sodium ion

Na+

2 次

HCID962

Water

H2O

HCID1140

Toluene

C7H8

HCID19660

Carbonate

CO3-2

反应SMILES：COc1nc(C)cnc1N(C(=O)OCC(C)C)S(=O)(=O)c1cccnc1Cl

HCID11015197

未命名化合物

HCID21186218

未命名化合物

反应SMILES：c1ccc([PH](c2ccccc2)(c2ccccc2)[Pd]([PH](c2ccccc2)(c2ccccc2)c2ccccc2)([PH](c2ccccc2)(c2ccccc2)c2ccccc2)[PH](c2ccccc2)(c2ccccc2)c2ccccc2)cc1

HCID178420554

未命名化合物

PRODUCTS

产物

反应SMILES：COc1nc(C)cnc1N(C(=O)OCC(C)C)S(=O)(=O)c1cccnc1-c1ccc(CC(C)C(=O)O)cc1

HCID21186252

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-5799b596491445ba8021ceeb4515bfae
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应SMILES

[C:7](=[O:8])([OH:9])[CH:10]([CH2:11][c:12]1[cH:13][cH:14][c:15]([B:18]([OH:19])[OH:20])[cH:16][cH:17]1)[CH3:21].[CH3:130][c:131]1[cH:132][cH:133][cH:134][cH:135][cH:136]1.[CH3:49][CH2:50][OH:51].[Cl:22][c:23]1[n:24][cH:25][cH:26][cH:27][c:28]1[S:29](=[O:30])(=[O:31])[N:32]([c:33]1[n:34][cH:35][c:36]([CH3:41])[n:37][c:38]1[O:39][CH3:40])[C:42](=[O:43])[O:44][CH2:45][CH:46]([CH3:47])[CH3:48].[Na+:1].[Na+:2].[O-:3][C:4](=[O:5])[O-:6].[OH2:52].[cH:53]1[cH:54][cH:55][c:56]([P:57]([Pd:58]([P:59]([c:60]2[cH:61][cH:62][cH:63][cH:64][cH:65]2)([c:66]2[cH:67][cH:68][cH:69][cH:70][cH:71]2)[c:72]2[cH:73][cH:74][cH:75][cH:76][cH:77]2)([P:78]([c:79]2[cH:80][cH:81][cH:82][cH:83][cH:84]2)([c:85]2[cH:86][cH:87][cH:88][cH:89][cH:90]2)[c:91]2[cH:92][cH:93][cH:94][cH:95][cH:96]2)[P:97]([c:98]2[cH:99][cH:100][cH:101][cH:102][cH:103]2)([c:104]2[cH:105][cH:106][cH:107][cH:108][cH:109]2)[c:110]2[cH:111][cH:112][cH:113][cH:114][cH:115]2)([c:116]2[cH:117][cH:118][cH:119][cH:120][cH:121]2)[c:122]2[cH:123][cH:124][cH:125][cH:126][cH:127]2)[cH:128][cH:129]1>>[C:7](=[O:8])([OH:9])[CH:10]([CH2:11][c:12]1[cH:13][cH:14][c:15](-[c:23]2[n:24][cH:25][cH:26][cH:27][c:28]2[S:29](=[O:30])(=[O:31])[N:32]([c:33]2[n:34][cH:35][c:36]([CH3:41])[n:37][c:38]2[O:39][CH3:40])[C:42](=[O:43])[O:44][CH2:45][CH:46]([CH3:47])[CH3:48])[cH:16][cH:17]1)[CH3:21]