HRID691033

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

结构：Cc1cnc(CNC2CCN(C(=O)OC(C)(C)C)CC2)c(C)c1

HCID67271627

未命名化合物

HCID86623810

未命名化合物

PRODUCTS

生成物

结构：Cc1cnc(CN(Cc2ncccc2C(C)(C)c2ccccc2)C2CCN(C(=O)OC(C)(C)C)CC2)c(C)c1

HCID67272445

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-30286bf6b5bb4ebeba4a58d9ca5791da
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

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