HRID2317442

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID2099

Alosetron

C17H18N4O

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID10387

Benzyl chloroformate

C8H7ClO2

PRODUCTS

生成物

结构：Cc1c(CN2CCc3c(c4ccccc4n3C)C2=O)ncn1C(=O)OCc1ccccc1

HCID18957736

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f6e21fe44bd245b4bd0733a010f4468f
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

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