HRID1129539

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID222

Ammonia gas

H3N

HCID1068

Dimethyl sulfide

C2H6S

HCID3283

Diethyl Ether

C4H10O

HCID6344

Dichloromethane

CH2Cl2

HCID6356

Boron trifluoride

BF3

结构：O=C(Nc1nc(-c2ccco2)c(N2CCOCC2)s1)C1CCN(C(=O)OCc2ccccc2)CC1

HCID23144107

未命名化合物

PRODUCTS

生成物

结构：O=C(Nc1nc(-c2ccco2)c(N2CCOCC2)s1)C1CCNCC1

HCID23144542

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-856d8fd38eef40bd9397d090cbc5c017
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

[B:44]([F:45])([F:46])[F:47].[CH2:1]([O:2][C:3](=[O:4])[N:11]1[CH2:12][CH2:13][CH:14]([C:17](=[O:18])[NH:19][c:20]2[s:21][c:22]([N:30]3[CH2:31][CH2:32][O:33][CH2:34][CH2:35]3)[c:23](-[c:25]3[o:26][cH:27][cH:28][cH:29]3)[n:24]2)[CH2:15][CH2:16]1)[c:5]1[cH:6][cH:7][cH:8][cH:9][cH:10]1.[CH2:39]([O:40][CH2:41][CH3:42])[CH3:43].[CH3:36][S:37][CH3:38].[Cl:49][CH2:50][Cl:51].[NH3:48]>>[NH:11]1[CH2:12][CH2:13][CH:14]([C:17](=[O:18])[NH:19][c:20]2[s:21][c:22]([N:30]3[CH2:31][CH2:32][O:33][CH2:34][CH2:35]3)[c:23](-[c:25]3[o:26][cH:27][cH:28][cH:29]3)[n:24]2)[CH2:15][CH2:16]1