HRID1230344

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID77150

2H-Isoindole-2-butanol, 1,3-dihydro-1,3-dioxo- (9CI)

C12H11NO3

结构：Cc1cnc(CNCc2ncccc2N2CCCc3ccccc32)c(C)c1

HCID67272814

未命名化合物

PRODUCTS

生成物

结构：Cc1cnc(CN(CCCCN2C(=O)c3ccccc3C2=O)Cc2ncccc2N2CCCc3ccccc32)c(C)c1

HCID67273000

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-416b69fc955447faab5642f8bbe07be0
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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