HRID1141008

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID3776

Isopropanol

C3H8O

HCID81531

Diisopropylethylamine

C8H19N

HCID10560649

2-Amino-6-bromobenzoic acid

C7H6BrNO2

结构：Cc1ccc(S(=O)(=O)n2ccc3c(Cl)nc(Cl)nc32)cc1

HCID53486828

2,4-Dichloro-7-(4-methylbenzene-1-sulfonyl)-7H-pyrrolo[2,3-d]pyrimidine

C13H9Cl2N3O2S

PRODUCTS

生成物

结构：Cc1ccc(S(=O)(=O)n2ccc3c(Nc4cccc(Br)c4C(=O)O)nc(Cl)nc32)cc1

HCID25149984

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d1d5a750e1f14c89a8bb841b52d5f789
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[CH2:33]([N:34]([CH:35]([CH3:36])[CH3:37])[CH:38]([CH3:39])[CH3:40])[CH3:41].[CH3:42][CH:43]([OH:44])[CH3:45].[Cl:1][c:2]1[n:3][c:4]([Cl:21])[c:5]2[c:6]([n:7]1)[n:8]([S:11](=[O:12])(=[O:13])[c:14]1[cH:15][cH:16][c:17]([CH3:20])[cH:18][cH:19]1)[cH:9][cH:10]2.[NH2:22][c:23]1[c:24]([C:25](=[O:26])[OH:27])[c:28]([Br:32])[cH:29][cH:30][cH:31]1>>[Cl:1][c:2]1[n:3][c:4]([NH:22][c:23]2[c:24]([C:25](=[O:26])[OH:27])[c:28]([Br:32])[cH:29][cH:30][cH:31]2)[c:5]2[c:6]([n:7]1)[n:8]([S:11](=[O:12])(=[O:13])[c:14]1[cH:15][cH:16][c:17]([CH3:20])[cH:18][cH:19]1)[cH:9][cH:10]2