HRID2324138

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID2723790

Thiourea

CH4N2S

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

HCID53804456

未命名化合物

PRODUCTS

生成物

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

HCID53447342

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4ababcb7891d4c45904c89e7b81745d4
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[CH2:1]([CH3:2])[O:3][C:4]([C:5](=[N:6][O:7][C:8]([c:9]1[cH:10][cH:11][cH:12][cH:13][cH:14]1)([c:15]1[cH:16][cH:17][cH:18][cH:19][cH:20]1)[c:21]1[cH:22][cH:23][cH:24][cH:25][cH:26]1)[c:27]1[n:28][c:29]([NH:32][C:33]([c:34]2[cH:35][cH:36][cH:37][cH:38][cH:39]2)([c:40]2[cH:41][cH:42][cH:43][cH:44][cH:45]2)[c:46]2[cH:47][cH:48][cH:49][cH:50][cH:51]2)[s:30][cH:31]1)=[O:52].[CH3:57][CH2:58][OH:59].[NH2:53][C:54](=[S:55])[NH2:56]>>[O:3]=[C:4]([C:5](=[N:6][O:7][C:8]([c:9]1[cH:10][cH:11][cH:12][cH:13][cH:14]1)([c:15]1[cH:16][cH:17][cH:18][cH:19][cH:20]1)[c:21]1[cH:22][cH:23][cH:24][cH:25][cH:26]1)[c:27]1[n:28][c:29]([NH:32][C:33]([c:34]2[cH:35][cH:36][cH:37][cH:38][cH:39]2)([c:40]2[cH:41][cH:42][cH:43][cH:44][cH:45]2)[c:46]2[cH:47][cH:48][cH:49][cH:50][cH:51]2)[s:30][cH:31]1)[OH:52]