HRID1539377

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID26255

Tetrafluoroborate

BF4-

结构：c1ccc(C(c2ccccc2)(c2ccccc2)[n+]2ccccc2)cc1

HCID415447

未命名化合物

结构：CC1CN(C(=O)OC(C)(C)C)CC2Cc3cc(Br)c(CS)nc3N12

HCID178430753

未命名化合物

PRODUCTS

生成物

结构：CC1CN(C(=O)OC(C)(C)C)CC2Cc3cc(Br)c(CSC(c4ccccc4)(c4ccccc4)c4ccccc4)nc3N12

HCID178430752

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8183e1db391d4dec9f77f130fc722bae
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

[B-:25]([F:26])([F:27])([F:28])[F:29].[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH:10]2[CH2:11][c:12]3[cH:13][c:14]([Br:24])[c:15]([CH2:22][SH:23])[n:16][c:17]3[N:18]2[CH:19]([CH3:21])[CH2:20]1.[C:30]([c:31]1[cH:32][cH:33][cH:34][cH:35][cH:36]1)([c:37]1[cH:38][cH:39][cH:40][cH:41][cH:42]1)([c:43]1[cH:44][cH:45][cH:46][cH:47][cH:48]1)[n+:49]1[cH:50][cH:51][cH:52][cH:53][cH:54]1.[Cl:55][CH2:56][Cl:57]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH:10]2[CH2:11][c:12]3[cH:13][c:14]([Br:24])[c:15]([CH2:22][S:23][C:30]([c:31]4[cH:32][cH:33][cH:34][cH:35][cH:36]4)([c:37]4[cH:38][cH:39][cH:40][cH:41][cH:42]4)[c:43]4[cH:44][cH:45][cH:46][cH:47][cH:48]4)[n:16][c:17]3[N:18]2[CH:19]([CH3:21])[CH2:20]1