HRID99541

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID3283

Diethyl Ether

C4H10O

HCID6344

Dichloromethane

CH2Cl2

结构：CC(C)(C)OC(=O)NC1(c2ccc(-c3c(-c4ccccc4)oc4c(-n5ccnc5)nccc4c3=O)cc2)CCC1

HCID86671059

未命名化合物

PRODUCTS

生成物

HCID313

Hydrochloric Acid

ClH

结构：NC1(c2ccc(-c3c(-c4ccccc4)oc4c(-n5ccnc5)nccc4c3=O)cc2)CCC1

HCID67067951

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f04ea8fd6309415abb293a5d8d8b8c84
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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