HRID289273

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID769

Bicarbonate Ion

CHO3-

HCID813

Potassium cation

K+

HCID887

Methanol

CH4O

HCID923

Sodium ion

Na+

HCID30165

Iodide ion

I-

HCID76727

Morpholine, 4-(2-chloroethyl)-

C6H12ClNO

结构：COc1cc2c(Oc3ccc4[nH]c(C)cc4c3)ncnc2cc1OCC1CCNCC1

HCID22030873

未命名化合物

PRODUCTS

生成物

结构：COc1cc2c(Oc3ccc4[nH]c(C)cc4c3)ncnc2cc1OCC1CCN(CCN2CCOCC2)CC1

HCID22030826

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8e0b621b8bc44a12addb0d3f0964cd08
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:44](=[O:45])([O-:46])[OH:47].[CH3:1][O:2][c:3]1[cH:4][c:5]2[c:6]([O:21][c:22]3[cH:23][c:24]4[cH:25][c:26]([CH3:31])[nH:27][c:28]4[cH:29][cH:30]3)[n:7][cH:8][n:9][c:10]2[cH:11][c:12]1[O:13][CH2:14][CH:15]1[CH2:16][CH2:17][NH:18][CH2:19][CH2:20]1.[CH3:49][OH:50].[Cl:35][CH2:36][CH2:37][N:38]1[CH2:39][CH2:40][O:41][CH2:42][CH2:43]1.[ClH:34].[I-:33].[K+:32].[Na+:48]>>[CH3:1][O:2][c:3]1[cH:4][c:5]2[c:6]([O:21][c:22]3[cH:23][c:24]4[cH:25][c:26]([CH3:31])[nH:27][c:28]4[cH:29][cH:30]3)[n:7][cH:8][n:9][c:10]2[cH:11][c:12]1[O:13][CH2:14][CH:15]1[CH2:16][CH2:17][N:18]([CH2:36][CH2:37][N:38]2[CH2:39][CH2:40][O:41][CH2:42][CH2:43]2)[CH2:19][CH2:20]1