HRID140368

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1140

Toluene

C7H8

HCID8022

Ethyl isocyanate

C3H5NO

HCID8471

Triethylamine

C6H15N

HCID601008

Ethyl 2-amino-1,3-benzothiazole-6-carboxylate

C10H10N2O2S

HCID21985614

未命名化合物

PRODUCTS

生成物

HCID21985580

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b7ac81c56fe641d2a17e307027d6b923
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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