HRID1541479

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID263

1-Butanol

C4H10O

HCID78867

5-Aminoindole

C8H8N2

结构：CC(C)(C)OC(=O)N1CC=C(c2cc3c(Cl)ncnc3n2S(=O)(=O)c2ccccc2)CC1

HCID58709981

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CC=C(c2cc3c(Nc4ccc5[nH]ccc5c4)ncnc3n2S(=O)(=O)c2ccccc2)CC1

HCID58709943

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-edda5677179841c89da76605a1e9d93e
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][C:11]([c:14]2[cH:15][c:16]3[c:17]([n:18][cH:19][n:20][c:21]3[Cl:22])[n:23]2[S:24](=[O:25])(=[O:26])[c:27]2[cH:28][cH:29][cH:30][cH:31][cH:32]2)=[CH:12][CH2:13]1.[CH2:43]([OH:44])[CH2:45][CH2:46][CH3:47].[NH2:33][c:34]1[cH:35][c:36]2[cH:37][cH:38][nH:39][c:40]2[cH:41][cH:42]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][C:11]([c:14]2[cH:15][c:16]3[c:17]([n:18][cH:19][n:20][c:21]3[NH:33][c:34]3[cH:35][c:36]4[cH:37][cH:38][nH:39][c:40]4[cH:41][cH:42]3)[n:23]2[S:24](=[O:25])(=[O:26])[c:27]2[cH:28][cH:29][cH:30][cH:31][cH:32]2)=[CH:12][CH2:13]1