HRID1554428

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID74339

3,5-Bis(benzyloxy)-alpha-chlorotoluene

C21H19ClO2

HCID12281467

未命名化合物

PRODUCTS

生成物

HCID313

Hydrochloric Acid

ClH

结构：c1ccc(COc2ccc(CSC3=NC(c4ccccc4)C(c4ccccc4)N3)cc2OCc2ccccc2)cc1

HCID68568607

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-684c84f3a1f14c0ba811c5a214f0f283
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[CH2:19]([c:20]1[cH:21][cH:22][cH:23][cH:24][cH:25]1)[O:26][c:27]1[cH:28][c:29]([CH2:30][Cl:31])[cH:32][cH:33][c:34]1[O:35][CH2:36][c:37]1[cH:38][cH:39][cH:40][cH:41][cH:42]1.[CH3:43][CH2:44][OH:45].[c:1]1([CH:7]2[NH:8][C:9](=[S:18])[NH:10][CH:11]2[c:12]2[cH:13][cH:14][cH:15][cH:16][cH:17]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1>>[ClH:31].[c:1]1([CH:7]2[NH:8][C:9]([S:18][CH2:30][c:29]3[cH:28][c:27]([O:26][CH2:19][c:20]4[cH:21][cH:22][cH:23][cH:24][cH:25]4)[c:34]([O:35][CH2:36][c:37]4[cH:38][cH:39][cH:40][cH:41][cH:42]4)[cH:33][cH:32]3)=[N:10][CH:11]2[c:12]2[cH:13][cH:14][cH:15][cH:16][cH:17]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1