HRID155277

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

HCID576503

2,3,4,5-Tetrahydro-1H-benzo[b]azepine

C10H13N

结构：COc1cc(F)c(N2C(=O)c3ccccc3C2=O)cc1S(=O)(=O)Cl

HCID59309743

未命名化合物

PRODUCTS

生成物

结构：COc1cc(F)c(N2C(=O)c3ccccc3C2=O)cc1S(=O)(=O)N1CCCCc2ccccc21

HCID68514461

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-29c4dfeb4a7e4a48945fb1968aa79deb
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[CH2:53]([Cl:54])[Cl:55].[CH3:12][CH2:13][N:14]([CH2:15][CH3:16])[CH2:17][CH3:18].[CH3:44][N:45]([CH3:46])[c:47]1[cH:48][cH:49][n:50][cH:51][cH:52]1.[F:19][c:20]1[cH:21][c:22]([O:41][CH3:42])[c:23]([S:37](=[O:38])(=[O:39])[Cl:40])[cH:24][c:25]1[N:26]1[C:27](=[O:36])[c:28]2[cH:29][cH:30][cH:31][cH:32][c:33]2[C:34]1=[O:35].[NH:1]1[c:2]2[c:3]([cH:8][cH:9][cH:10][cH:11]2)[CH2:4][CH2:5][CH2:6][CH2:7]1.[OH2:43]>>[N:1]1([S:37]([c:23]2[c:22]([O:41][CH3:42])[cH:21][c:20]([F:19])[c:25]([N:26]3[C:27](=[O:36])[c:28]4[cH:29][cH:30][cH:31][cH:32][c:33]4[C:34]3=[O:35])[cH:24]2)(=[O:38])=[O:39])[c:2]2[c:3]([cH:8][cH:9][cH:10][cH:11]2)[CH2:4][CH2:5][CH2:6][CH2:7]1