HRID2127911

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID222

Ammonia gas

H3N

HCID962

Water

H2O

HCID3776

Isopropanol

C3H8O

HCID8028

Tetrahydrofuran

C4H8O

结构：CN1C(=O)CSC(c2cccc(Cl)c2)c2cc(C(Cl)(c3ccc(Cl)cc3)c3cncn3C)ccc21

HCID69022988

未命名化合物

PRODUCTS

生成物

结构：CN1C(=O)CSC(c2cccc(Cl)c2)c2cc(C(N)(c3ccc(Cl)cc3)c3cncn3C)ccc21

HCID10279755

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d559f0430c1f4830af9ee67ec39a3bd3
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

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