HRID320209

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11

1,2-Dichloroethane

C2H4Cl2

HCID313

Hydrochloric Acid

ClH

2 次

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID4137803

4-hydroxy-3-(morpholin-4-ylmethyl)benzoic acid

C12H15NO4

HCID57447308

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)c1cc(Cl)ccc1OCCCCNC(=O)c1ccc(O)c(CN2CCOCC2)c1

HCID57647174

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6541df0db6da4fd2a1e969a50785e097
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:2]([CH3:3])([CH3:4])([CH3:5])[c:6]1[c:7]([O:8][CH2:9][CH2:10][CH2:11][CH2:12][NH2:13])[cH:14][cH:15][c:16]([Cl:18])[cH:17]1.[C:58](=[O:59])([OH:60])[O-:61].[CH2:53]([Cl:54])[CH2:55][Cl:56].[CH3:36][CH2:37][N:38]([CH2:39][CH3:40])[CH2:41][CH3:42].[ClH:1].[ClH:57].[Na+:62].[O:63]=[CH:64][N:65]([CH3:66])[CH3:67].[OH:19][c:20]1[c:21]([CH2:29][N:30]2[CH2:31][CH2:32][O:33][CH2:34][CH2:35]2)[cH:22][c:23]([C:24](=[O:25])[OH:26])[cH:27][cH:28]1.[OH:43][n:44]1[c:45]2[cH:46][cH:47][cH:48][cH:49][c:50]2[n:51][n:52]1>>[C:2]([CH3:3])([CH3:4])([CH3:5])[c:6]1[c:7]([O:8][CH2:9][CH2:10][CH2:11][CH2:12][NH:13][C:24]([c:23]2[cH:22][c:21]([CH2:29][N:30]3[CH2:31][CH2:32][O:33][CH2:34][CH2:35]3)[c:20]([OH:19])[cH:28][cH:27]2)=[O:25])[cH:14][cH:15][c:16]([Cl:18])[cH:17]1