HRID297809

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

结构：O=C(O)C(=O)c1csc(NC(c2ccccc2)(c2ccccc2)c2ccccc2)n1

HCID11133448

(2-tritylaminothiazol-4-yl)glyoxylic acid

C24H18N2O3S

结构：NOC(C(=O)OC(c1ccccc1)c1ccccc1)c1ccsc1

HCID19746634

未命名化合物

PRODUCTS

生成物

结构：O=C(O)C(=NOC(C(=O)OC(c1ccccc1)c1ccccc1)c1ccsc1)c1csc(NC(c2ccccc2)(c2ccccc2)c2ccccc2)n1

HCID54172305

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-132983825d704636b177274fb738391b
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[C:25]([c:26]1[cH:27][cH:28][cH:29][cH:30][cH:31]1)([c:32]1[cH:33][cH:34][cH:35][cH:36][cH:37]1)([c:38]1[cH:39][cH:40][cH:41][cH:42][cH:43]1)[NH:44][c:45]1[s:46][cH:47][c:48]([C:50]([C:51](=[O:52])[OH:53])=[O:54])[n:49]1.[CH3:55][OH:56].[s:1]1[cH:2][c:3]([CH:6]([C:7](=[O:8])[O:9][CH:10]([c:11]2[cH:12][cH:13][cH:14][cH:15][cH:16]2)[c:17]2[cH:18][cH:19][cH:20][cH:21][cH:22]2)[O:23][NH2:24])[cH:4][cH:5]1>>[s:1]1[cH:2][c:3]([CH:6]([C:7](=[O:8])[O:9][CH:10]([c:11]2[cH:12][cH:13][cH:14][cH:15][cH:16]2)[c:17]2[cH:18][cH:19][cH:20][cH:21][cH:22]2)[O:23][N:24]=[C:50]([c:48]2[cH:47][s:46][c:45]([NH:44][C:25]([c:26]3[cH:27][cH:28][cH:29][cH:30][cH:31]3)([c:32]3[cH:33][cH:34][cH:35][cH:36][cH:37]3)[c:38]3[cH:39][cH:40][cH:41][cH:42][cH:43]3)[n:49]2)[C:51](=[O:52])[OH:53])[cH:4][cH:5]1