HRID668623

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID312

Chloride

Cl-

HCID887

Methanol

CH4O

HCID6344

Dichloromethane

CH2Cl2

HCID28486

Lithium ion

Li+

HCID31275

1,4-Dioxane

C4H8O2

HCID57497697

未命名化合物

结构：CC(C)(C)OC(=O)NCc1n[c]([Sn]([CH3])([CH3])[CH3])cs1

HCID66623970

未命名化合物

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)(C)OC(=O)NCc1nc(-c2cnc3cc(Cl)ccn23)cs1

HCID68545966

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f08699b6754e4b128c5e04ed91ab6bd3
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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