HRID2152281

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID3776

Isopropanol

C3H8O

HCID81531

Diisopropylethylamine

C8H19N

HCID14809282

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

C7H6ClN3

结构：CN(C)C(=O)Oc1cccc(NC(=O)C2(Cc3c[nH]cn3)CCNCC2)c1

HCID178484745

未命名化合物

PRODUCTS

生成物

结构：Cc1c[nH]c2ncnc(N3CCC(Cc4c[nH]cn4)(C(=O)Nc4cccc(OC(=O)N(C)C)c4)CC3)c12

HCID178430820

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d25a5d3c5d5c4be6a78b7605e73d9569
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

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