HRID2149713

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID3776

Isopropanol

C3H8O

HCID6925

2-Methylbenzenesulfonic acid

C7H8O3S

结构：CN1C(=O)C(F)(F)CN(C2CCCCC2)c2nc(Cl)ncc21

HCID57955554

未命名化合物

HCID58015003

4-Amino-N-[1-(2-hydroxyethyl)-4-piperidinyl]-3-methoxybenzamide

C15H23N3O3

PRODUCTS

生成物

结构：COc1cc(C(=O)NC2CCN(CCO)CC2)ccc1Nc1ncc2c(n1)N(C1CCCCC1)CC(F)(F)C(=O)N2C

HCID25254001

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-78db7cac5b7e4f9a8817f57e40222ebb
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

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