HRID1572368

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

2 次

HCID962

Water

H2O

HCID3776

Isopropanol

C3H8O

HCID6101

4-Methylbenzenesulfonic acid

C7H8O3S

HCID6344

Dichloromethane

CH2Cl2

HCID19660

Carbonate

CO3-2

HCID11529063

4-Amino-3-methoxy-N-(1-methyl-4-piperidinyl)benzamide

C14H21N3O2

结构：COc1ccc(CN2CC(F)(F)C(=O)N(C)c3cnc(Cl)nc32)cc1

HCID86637523

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(CN2CC(F)(F)C(=O)N(C)c3cnc(Nc4ccc(C(=O)NC5CCN(C)CC5)cc4OC)nc32)cc1

HCID44546734

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1d315b53dc2c4a0b851e1597c0bea35f
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

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