HRID299598

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID16784221

(2-Oxo-3,4-dihydroquinolin-1(2H)-yl)acetic acid

C11H11NO3

结构：Nc1ccsc1-c1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1

HCID68785933

未命名化合物

PRODUCTS

生成物

结构：O=C(CN1C(=O)CCc2ccccc21)Nc1ccsc1-c1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1

HCID68783981

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-84cb0ef64cdd49749695523b31057b11
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

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