HRID160378

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID3776

Isopropanol

C3H8O

HCID6101

4-Methylbenzenesulfonic acid

C7H8O3S

HCID6344

Dichloromethane

CH2Cl2

HCID59452966

未命名化合物

HCID59452969

未命名化合物

PRODUCTS

产物

HCID59452662

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-124f29a2e7784156880dd63fca76d6dc
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

[CH:66]([OH:67])([CH3:68])[CH3:69].[Cl:1][c:2]1[n:3][cH:4][cH:5][c:6](-[c:8]2[c:9](-[c:17]3[cH:18][c:19]([C:20](=[O:21])[NH:22][c:23]4[c:24]([F:30])[cH:25][cH:26][cH:27][c:28]4[F:29])[cH:31][cH:32][cH:33]3)[n:10][c:11]3[n:12]2[cH:13][cH:14][cH:15][cH:16]3)[n:7]1.[Cl:70][CH2:71][Cl:72].[N:34]1([CH:40]2[CH2:41][CH2:42][N:43]([c:46]3[cH:47][c:48]([CH3:53])[c:49]([NH2:50])[cH:51][cH:52]3)[CH2:44][CH2:45]2)[CH2:35][CH2:36][CH2:37][CH2:38][CH2:39]1.[OH2:54].[c:55]1([CH3:56])[cH:57][cH:58][c:59]([S:60]([OH:61])(=[O:62])=[O:63])[cH:64][cH:65]1>>[c:2]1([NH:50][c:49]2[c:48]([CH3:53])[cH:47][c:46]([N:43]3[CH2:42][CH2:41][CH:40]([N:34]4[CH2:35][CH2:36][CH2:37][CH2:38][CH2:39]4)[CH2:45][CH2:44]3)[cH:52][cH:51]2)[n:3][cH:4][cH:5][c:6](-[c:8]2[c:9](-[c:17]3[cH:18][c:19]([C:20](=[O:21])[NH:22][c:23]4[c:24]([F:30])[cH:25][cH:26][cH:27][c:28]4[F:29])[cH:31][cH:32][cH:33]3)[n:10][c:11]3[n:12]2[cH:13][cH:14][cH:15][cH:16]3)[n:7]1