HRID669791

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

2 次

HCID887

Methanol

CH4O

HCID962

Water

H2O

HCID7504

Benzylamine

C7H9N

结构：CCN(CC)CC(C)N1c2ccccc2Sc2ccc(C(=N)OC)cc21

HCID15925385

未命名化合物

PRODUCTS

生成物

结构：CCN(CC)CC(C)N1c2ccccc2Sc2ccc(C(=N)NCc3ccccc3)cc21

HCID178463984

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-263d75330e6a46efb52f69c45b163c62
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

[CH2:11]([CH3:12])[N:13]([CH2:14][CH:15]([CH3:16])[N:17]1[c:18]2[cH:19][cH:20][cH:21][cH:22][c:23]2[S:24][c:25]2[cH:26][cH:27][c:28]([C:31]([O:32][CH3:33])=[NH:34])[cH:29][c:30]21)[CH2:35][CH3:36].[CH3:38][OH:39].[ClH:10].[ClH:9].[NH2:1][CH2:2][c:3]1[cH:4][cH:5][cH:6][cH:7][cH:8]1.[OH2:37]>>[NH:1]([CH2:2][c:3]1[cH:4][cH:5][cH:6][cH:7][cH:8]1)[C:31]([c:28]1[cH:27][cH:26][c:25]2[c:30]([cH:29]1)[N:17]([CH:15]([CH2:14][N:13]([CH2:11][CH3:12])[CH2:35][CH3:36])[CH3:16])[c:18]1[cH:19][cH:20][cH:21][cH:22][c:23]1[S:24]2)=[NH:34]