HRID1237998

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID76727

Morpholine, 4-(2-chloroethyl)-

C6H12ClNO

反应SMILES：O=C(c1[nH]c2ccccc2c1C(c1ccccc1)c1ccccc1)N1CCN(c2ccccc2Cl)CC1

HCID15858911

未命名化合物

PRODUCTS

产物

反应SMILES：O=C(c1c(C(c2ccccc2)c2ccccc2)c2ccccc2n1CCN1CCOCC1)N1CCN(c2ccccc2Cl)CC1

HCID15858912

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-9838e4125d1543c4aca838664d829443
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应SMILES

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