HRID301116

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID243

Benzoic acid

C7H6O2

HCID887

Methanol

CH4O

结构：CCN(CC)CCN(CCNCCc1ccc(O)c2[nH]c(=O)sc12)C(=O)CCOCCc1cccc2ccccc12

HCID16035068

N-[2-(Diethylamino)ethyl]-N-(2-{[2-(4-hydroxy-2-oxo-2,3-dihydro-1,3-benzothiazol-7-yl)ethyl]amino}ethyl)-3-[2-(1-naphthyl)ethoxy]propanamide

C32H42N4O4S

PRODUCTS

生成物

HCID243

Benzoic acid

C7H6O2

HCID16035068

N-[2-(Diethylamino)ethyl]-N-(2-{[2-(4-hydroxy-2-oxo-2,3-dihydro-1,3-benzothiazol-7-yl)ethyl]amino}ethyl)-3-[2-(1-naphthyl)ethoxy]propanamide

C32H42N4O4S

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-802d94f9975d4909973228dea23f82ef
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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