HRID696960

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11

1,2-Dichloroethane

C2H4Cl2

HCID887

Methanol

CH4O

HCID521305

1-Chloroethyl carbonochloridate

C3H4Cl2O2

结构：O=C1N(Cc2ccccc2)C(=O)C2(CCN(Cc3ccccc3)CC2)N1c1ccc(F)cc1

HCID54268940

未命名化合物

PRODUCTS

生成物

结构：O=C1N(Cc2ccccc2)C(=O)C2(CCNCC2)N1c1ccc(F)cc1

HCID53662823

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1a72f662bde04b15a57eb8a252fac0ff
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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