HRID1223771

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID263

1-Butanol

C4H10O

HCID313

Hydrochloric Acid

ClH

HCID887

Methanol

CH4O

HCID6344

Dichloromethane

CH2Cl2

HCID78867

5-Aminoindole

C8H8N2

HCID81531

Diisopropylethylamine

C8H19N

结构：CC(C)(C)OC(=O)N1CC=C(c2cc3c(Cl)ncnc3[nH]2)CC1

HCID58709797

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CC=C(c2cc3c(Nc4ccc5[nH]ccc5c4)ncnc3[nH]2)CC1

HCID11633369

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-74e4f1999f3942a28b7816bb3646207f
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

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])[nH:23]2)=[CH:12][CH2:13]1.[CH2:44]([OH:45])[CH2:46][CH2:47][CH3:48].[CH3:52][OH:53].[CH:34]([N:35]([CH2:36][CH3:37])[CH:38]([CH3:39])[CH3:40])([CH3:41])[CH3:42].[Cl:49][CH2:50][Cl:51].[ClH:43].[NH2:24][c:25]1[cH:26][c:27]2[cH:28][cH:29][nH:30][c:31]2[cH:32][cH:33]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:24][c:25]3[cH:26][c:27]4[cH:28][cH:29][nH:30][c:31]4[cH:32][cH:33]3)[nH:23]2)=[CH:12][CH2:13]1