HRID684444

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6560

2-Methyl-1-propanol

C4H10O

HCID81531

Diisopropylethylamine

C8H19N

HCID14809282

4-Chloro-5-methyl-7H-pyrrolo[2,3-d]pyrimidine

C7H6ClN3

结构：CN(C)CCC1(C(=O)Nc2cccc(OC(=O)N(C)C)c2)CCNCC1

HCID67037230

未命名化合物

PRODUCTS

生成物

结构：Cc1c[nH]c2ncnc(N3CCC(CCN(C)C)(C(=O)Nc4cccc(OC(=O)N(C)C)c4)CC3)c12

HCID57920210

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8822ac72fd4942239f47e5e1826cf98e
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

[CH3:1][N:2]([C:3]([O:4][c:5]1[cH:6][c:7]([NH:11][C:12](=[O:13])[C:14]2([CH2:20][CH2:21][N:22]([CH3:23])[CH3:24])[CH2:15][CH2:16][NH:17][CH2:18][CH2:19]2)[cH:8][cH:9][cH:10]1)=[O:25])[CH3:26].[CH3:47][CH:48]([CH2:49][OH:50])[CH3:51].[CH:38]([N:39]([CH2:40][CH3:41])[CH:42]([CH3:43])[CH3:44])([CH3:45])[CH3:46].[Cl:27][c:28]1[c:29]2[c:30]([n:31][cH:32][n:33]1)[nH:34][cH:35][c:36]2[CH3:37]>>[CH3:1][N:2]([C:3]([O:4][c:5]1[cH:6][c:7]([NH:11][C:12](=[O:13])[C:14]2([CH2:20][CH2:21][N:22]([CH3:23])[CH3:24])[CH2:15][CH2:16][N:17]([c:28]3[c:29]4[c:30]([n:31][cH:32][n:33]3)[nH:34][cH:35][c:36]4[CH3:37])[CH2:18][CH2:19]2)[cH:8][cH:9][cH:10]1)=[O:25])[CH3:26]