HRID1123971

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID259

Bromide

Br-

HCID887

Methanol

CH4O

HCID962

Water

H2O

HCID6342

Acetonitrile

C2H3N

HCID6344

Dichloromethane

CH2Cl2

2 次

HCID10482

Acetyl bromide

C2H3BrO

结构：O=C(C[N+]12CCC(CC1)C(OC(=O)C(Nc1ccccc1)c1ccccc1)C2)c1ccc(O)cc1

HCID76828745

未命名化合物

PRODUCTS

生成物

HCID259

Bromide

Br-

结构：CC(=O)Oc1ccc(C(=O)C[N+]23CCC(CC2)C(OC(=O)C(Nc2ccccc2)c2ccccc2)C3)cc1

HCID76828757

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-fa6c0b83ac3c40a686cec2751bc1c769
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

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