HRID107147

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID259

Bromide

Br-

HCID260

Hydrogen Bromide

BrH

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID12056

Benzoyl bromide

C7H5BrO

结构：NCC[N+]12CCC(CC1)C(OC(=O)C(O)(c1ccccc1)c1ccccc1)C2

HCID178511312

未命名化合物

PRODUCTS

生成物

HCID259

Bromide

Br-

结构：O=C(NCC[N+]12CCC(CC1)C(OC(=O)C(O)(c1ccccc1)c1ccccc1)C2)c1ccccc1

HCID11443103

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3408dbc5cbd949f085eec13659e720f8
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[Br-:2].[BrH:1].[C:38]([c:39]1[cH:40][cH:41][cH:42][cH:43][cH:44]1)(=[O:45])[Br:46].[CH3:31][CH2:32][N:33]([CH2:34][CH3:35])[CH2:36][CH3:37].[Cl:47][CH2:48][Cl:49].[NH2:3][CH2:4][CH2:5][N+:6]12[CH2:7][CH:8]([O:14][C:15]([C:16]([c:17]3[cH:18][cH:19][cH:20][cH:21][cH:22]3)([c:23]3[cH:24][cH:25][cH:26][cH:27][cH:28]3)[OH:29])=[O:30])[CH:9]([CH2:10][CH2:11]1)[CH2:12][CH2:13]2>>[Br-:46].[NH:3]([CH2:4][CH2:5][N+:6]12[CH2:7][CH:8]([O:14][C:15]([C:16]([c:17]3[cH:18][cH:19][cH:20][cH:21][cH:22]3)([c:23]3[cH:24][cH:25][cH:26][cH:27][cH:28]3)[OH:29])=[O:30])[CH:9]([CH2:10][CH2:11]1)[CH2:12][CH2:13]2)[C:38]([c:39]1[cH:40][cH:41][cH:42][cH:43][cH:44]1)=[O:45]