HRID203615

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID923

Sodium ion

Na+

2 次

HCID8071

未命名化合物

HCID19660

Carbonate

CO3-2

HCID24905337

3-Iodo-1-(propan-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine

C8H10IN5

HCID44119636

{3-[(4,5-Dihydro-1,3-thiazol-2-yl)carbamoyl]phenyl}boronic acid

C10H11BN2O3S

结构：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

生成物

结构：CC(C)n1nc(-c2cccc(C(=O)NC3=NCCS3)c2)c2c(N)ncnc21

HCID24905154

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e0f9cf2eb59646e4a32f008c01b82350
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[C:32](=[O:33])([O-:34])[O-:35].[CH3:38][CH2:39][OH:40].[CH3:41][O:42][CH2:43][CH2:44][O:45][CH3:46].[I:18][c:19]1[n:20][n:21]([CH:29]([CH3:30])[CH3:31])[c:22]2[n:23][cH:24][n:25][c:26]([NH2:28])[c:27]12.[Na+:36].[Na+:37].[S:1]1[C:2]([NH:6][C:7](=[O:8])[c:9]2[cH:10][c:11]([B:15]([OH:16])[OH:17])[cH:12][cH:13][cH:14]2)=[N:3][CH2:4][CH2:5]1.[cH:47]1[cH:48][cH:49][c:50]([P:51]([Pd:52]([P:53]([c:54]2[cH:55][cH:56][cH:57][cH:58][cH:59]2)([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)([P:72]([c:73]2[cH:74][cH:75][cH:76][cH:77][cH:78]2)([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)[P:91]([c:92]2[cH:93][cH:94][cH:95][cH:96][cH:97]2)([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)[cH:122][cH:123]1>>[S:1]1[C:2]([NH:6][C:7](=[O:8])[c:9]2[cH:10][c:11](-[c:19]3[n:20][n:21]([CH:29]([CH3:30])[CH3:31])[c:22]4[n:23][cH:24][n:25][c:26]([NH2:28])[c:27]34)[cH:12][cH:13][cH:14]2)=[N:3][CH2:4][CH2:5]1