HRID2157231

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID222

Ammonia gas

H3N

HCID887

Methanol

CH4O

HCID962

Water

H2O

2 次

HCID8028

Tetrahydrofuran

C4H8O

HCID31297

Methanesulfonyl chloride

CH3ClO2S

反应SMILES：OCc1sc(N2CCC(c3cc(Cl)c(Cl)c(Cl)c3)(C(F)(F)F)C2)nc1C(F)(F)F

HCID59453386

未命名化合物

PRODUCTS

产物

反应SMILES：NCc1sc(N2CCC(c3cc(Cl)c(Cl)c(Cl)c3)(C(F)(F)F)C2)nc1C(F)(F)F

HCID59453369

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-08dbb393e3b84842a8f3f96bbb4c8e1a
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

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