HRID87813

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6344

Dichloromethane

CH2Cl2

2 次

HCID8857

Ethyl acetate

C4H8O2

HCID25134

Boron tribromide

BBr3

结构：COc1cc(C)cc(C)c1-c1cccc2c(N(CC3CC3)CC3CC3)c(SC)nn12

HCID21984670

未命名化合物

PRODUCTS

生成物

结构：CSc1nn2c(-c3c(C)cc(C)cc3O)cccc2c1N(CC1CC1)CC1CC1

HCID135723520

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7848e04e760d40a180093adc32e2b40a
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

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