HRID211115

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11

1,2-Dichloroethane

C2H4Cl2

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID69828

Cyclopropanamine

C3H7N

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

结构：CC(C)(C)OC(=O)NC(Cc1ccccc1)C(O)C(=O)O

HCID3420379

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)NC(Cc1ccccc1)C(O)C(=O)NC1CC1

HCID66645006

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-54cff439e33949a4bf78c9eb7d35bcc1
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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