HRID2162863

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID8028

Tetrahydrofuran

C4H8O

HCID8471

Triethylamine

C6H15N

HCID8857

Ethyl acetate

C4H8O2

HCID69979

Benzene, 1-bromo-3-(bromomethyl)-

C7H6Br2

结构：COC(=O)c1ccc2c(c1)[nH]c(=S)n2CCCN(C)CCc1ccccn1

HCID86596758

未命名化合物

PRODUCTS

生成物

结构：COC(=O)c1ccc2c(c1)nc(SCc1cccc(Br)c1)n2CCCN(C)CCc1ccccn1

HCID69026672

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-55c07560a7c5445b9bb41a3ee12ffbe1
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[Br:8][c:9]1[cH:10][c:11]([CH2:12][Br:13])[cH:14][cH:15][cH:16]1.[CH3:17][N:18]([CH2:19][CH2:20][CH2:21][n:22]1[c:23](=[S:35])[nH:24][c:25]2[c:26]1[cH:27][cH:28][c:29]([C:31](=[O:32])[O:33][CH3:34])[cH:30]2)[CH2:36][CH2:37][c:38]1[n:39][cH:40][cH:41][cH:42][cH:43]1.[CH3:1][CH2:2][N:3]([CH2:4][CH3:5])[CH2:6][CH3:7].[CH3:49][CH2:50][O:51][C:52](=[O:53])[CH3:54].[O:44]1[CH2:45][CH2:46][CH2:47][CH2:48]1.[OH2:55]>>[Br:8][c:9]1[cH:10][c:11]([CH2:12][S:35][c:23]2[n:22]([CH2:21][CH2:20][CH2:19][N:18]([CH3:17])[CH2:36][CH2:37][c:38]3[n:39][cH:40][cH:41][cH:42][cH:43]3)[c:26]3[c:25]([n:24]2)[cH:30][c:29]([C:31](=[O:32])[O:33][CH3:34])[cH:28][cH:27]3)[cH:14][cH:15][cH:16]1