HRID108846

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

结构：OCc1cnc(N2CCC(c3cc(Cl)c(Cl)c(Cl)c3)(C(F)(F)F)C2)nc1C(F)(F)F

HCID59453381

未命名化合物

PRODUCTS

生成物

结构：NCc1cnc(N2CCC(c3cc(Cl)c(Cl)c(Cl)c3)(C(F)(F)F)C2)nc1C(F)(F)F

HCID59453377

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-bfe4b56f3a804ea4b0386f3c3fa15193
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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