HRID1127474

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID222

Ammonia gas

H3N

HCID313

Hydrochloric Acid

ClH

HCID702

Ethanol

C2H6O

HCID887

Methanol

CH4O

HCID962

Water

H2O

反应SMILES：O=[N+]([O-])c1ccccc1NC(=S)NCCN1CCC(Nc2nc3ccccc3n2Cc2ccc(F)cc2)CC1

HCID12891743

未命名化合物

PRODUCTS

产物

反应SMILES：Nc1ccccc1NC(=S)NCCN1CCC(Nc2nc3ccccc3n2Cc2ccc(F)cc2)CC1

HCID53859676

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-a3e28d13ad714017aa73a881ee75f18e
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应SMILES

[CH3:41][CH2:42][OH:43].[CH3:45][OH:46].[ClH:40].[F:1][c:2]1[cH:3][cH:4][c:5]([CH2:8][n:9]2[c:10]([NH:18][CH:19]3[CH2:20][CH2:21][N:22]([CH2:25][CH2:26][NH:27][C:28](=[S:29])[NH:30][c:31]4[c:32]([N+:37]([O-:38])=[O:39])[cH:33][cH:34][cH:35][cH:36]4)[CH2:23][CH2:24]3)[n:11][c:12]3[c:13]2[cH:14][cH:15][cH:16][cH:17]3)[cH:6][cH:7]1.[NH3:44].[OH2:47]>>[F:1][c:2]1[cH:3][cH:4][c:5]([CH2:8][n:9]2[c:10]([NH:18][CH:19]3[CH2:20][CH2:21][N:22]([CH2:25][CH2:26][NH:27][C:28](=[S:29])[NH:30][c:31]4[c:32]([NH2:37])[cH:33][cH:34][cH:35][cH:36]4)[CH2:23][CH2:24]3)[n:11][c:12]3[c:13]2[cH:14][cH:15][cH:16][cH:17]3)[cH:6][cH:7]1