HRID153509

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID679

Dimethyl sulfoxide

C2H6OS

HCID3776

Isopropanol

C3H8O

HCID81531

Diisopropylethylamine

C8H19N

HCID14809282

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

C7H6ClN3

结构：CC1(C(=O)Nc2cccc(-c3nnn[nH]3)c2)CCNCC1

HCID178431740

未命名化合物

PRODUCTS

生成物

结构：Cc1c[nH]c2ncnc(N3CCC(C)(C(=O)Nc4cccc(-c5nnn[nH]5)c4)CC3)c12

HCID178430821

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-04384e71b0704e50aff693b34db80a63
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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