HRID684407

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID6386

tert-Butyl alcohol

C4H10O

HCID6422

未命名化合物

HCID9855513

4-AMINOISOINDOLIN-1-ONE

C8H8N2O

反应SMILES：CN1CCCC1COc1cc(NC(=O)c2cccnc2F)ccc1C(F)(F)F

HCID69439673

未命名化合物

PRODUCTS

产物

反应SMILES：CN1CCCC1COc1cc(NC(=O)c2cccnc2Nc2cccc3c2CNC3=O)ccc1C(F)(F)F

HCID21966751

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-dbdcb4ea21da4b5788f9dccbf029e651
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应SMILES

[CH3:50][C:51]([OH:52])([CH3:53])[CH3:54].[ClH:47].[F:1][c:2]1[c:3]([C:4](=[O:5])[NH:6][c:7]2[cH:8][c:9]([O:17][CH2:18][CH:19]3[N:20]([CH3:24])[CH2:21][CH2:22][CH2:23]3)[c:10]([C:13]([F:14])([F:15])[F:16])[cH:11][cH:12]2)[cH:25][cH:26][cH:27][n:28]1.[F:29][C:30]([F:31])([F:32])[C:33]([OH:34])=[O:35].[NH2:36][c:37]1[c:38]2[c:42]([cH:43][cH:44][cH:45]1)[C:41](=[O:46])[NH:40][CH2:39]2.[Na+:49].[OH-:48]>>[c:2]1([NH:36][c:37]2[c:38]3[c:42]([cH:43][cH:44][cH:45]2)[C:41](=[O:46])[NH:40][CH2:39]3)[c:3]([C:4](=[O:5])[NH:6][c:7]2[cH:8][c:9]([O:17][CH2:18][CH:19]3[N:20]([CH3:24])[CH2:21][CH2:22][CH2:23]3)[c:10]([C:13]([F:14])([F:15])[F:16])[cH:11][cH:12]2)[cH:25][cH:26][cH:27][n:28]1