HRID114532

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID887

Methanol

CH4O

HCID6212

Chloroform

CHCl3

HCID8471

Triethylamine

C6H15N

HCID12225

Ethanol, 2-iodo-

C2H5IO

结构：NC1CCC(C(=O)Nc2c(C(=O)Nc3ccc(Cl)cc3)oc3ccccc23)CC1

HCID23062734

未命名化合物

PRODUCTS

生成物

结构：O=C(Nc1ccc(Cl)cc1)c1oc2ccccc2c1NC(=O)C1CCC(NCCO)CC1

HCID23062584

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-05ff5ba519024281b220eafa493f1fce
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

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