HRID157236

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

2 次

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID1140

Toluene

C7H8

HCID2441

Bromazepam

C14H10BrN3O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6344

Dichloromethane

CH2Cl2

2 次

HCID529992

methyl 2-bromopentanoate

C6H11BrO2

HCID3826051

未命名化合物

PRODUCTS

生成物

结构：CCCC(C(=O)OC)N1C(=O)CN=C(c2ccccn2)c2cc(Br)ccc21

HCID54389182

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9969e0d9fe23465d9dc983db5c13c1cf
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

[Br:1][c:2]1[cH:3][cH:4][c:5]2[c:6]([cH:19]1)[C:7]([c:13]1[n:14][cH:15][cH:16][cH:17][cH:18]1)=[N:8][CH2:9][C:10](=[O:12])[NH:11]2.[Br:28][CH:29]([C:30](=[O:31])[O:32][CH3:33])[CH2:34][CH2:35][CH3:36].[CH2:39]([Cl:40])[Cl:41].[CH2:42]([Cl:43])[Cl:44].[CH3:20][O-:21].[CH3:23][N:24]([CH3:25])[CH:26]=[O:27].[CH3:37][OH:38].[CH3:45][OH:46].[CH3:48][c:49]1[cH:50][cH:51][cH:52][cH:53][cH:54]1.[Na+:22].[OH2:47]>>[Br:1][c:2]1[cH:3][cH:4][c:5]2[c:6]([cH:19]1)[C:7]([c:13]1[n:14][cH:15][cH:16][cH:17][cH:18]1)=[N:8][CH2:9][C:10](=[O:12])[N:11]2[CH:29]([C:30](=[O:31])[O:32][CH3:33])[CH2:34][CH2:35][CH3:36]