HRID179113

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID222

Ammonia gas

H3N

HCID887

Methanol

CH4O

HCID6344

Dichloromethane

CH2Cl2

HCID8028

Tetrahydrofuran

C4H8O

HCID8471

Triethylamine

C6H15N

HCID31297

Methanesulfonyl chloride

CH3ClO2S

结构：COc1ccc(-c2ccc(N)nc2)cc1CN(C(=O)c1sc2c(F)ccc(F)c2c1Cl)C1CCC(N(C)C(=O)OC(C)(C)C)CC1

HCID59683462

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(-c2ccc(NS(C)(=O)=O)nc2)cc1CN(C(=O)c1sc2c(F)ccc(F)c2c1Cl)C1CCC(N(C)C(=O)OC(C)(C)C)CC1

HCID59683540

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-67a5025da5cf45abaa5cec53cc6daa97
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[CH2:65]1[O:66][CH2:67][CH2:68][CH2:69]1.[CH3:47][CH2:48][N:49]([CH2:50][CH3:51])[CH2:52][CH3:53].[CH3:54][S:55]([Cl:56])(=[O:57])=[O:58].[CH3:63][OH:64].[Cl:60][CH2:61][Cl:62].[NH2:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[cH:9][cH:10][c:11]([O:45][CH3:46])[c:12]([CH2:13][N:14]([CH:15]3[CH2:16][CH2:17][CH:18]([N:21]([C:22]([O:23][C:24]([CH3:25])([CH3:26])[CH3:27])=[O:28])[CH3:29])[CH2:19][CH2:20]3)[C:30](=[O:31])[c:32]3[c:33]([Cl:43])[c:34]4[c:35]([s:36]3)[c:37]([F:42])[cH:38][cH:39][c:40]4[F:41])[cH:44]2)[cH:6][n:7]1.[NH3:59]>>[NH:1]([c:2]1[cH:3][cH:4][c:5](-[c:8]2[cH:9][cH:10][c:11]([O:45][CH3:46])[c:12]([CH2:13][N:14]([CH:15]3[CH2:16][CH2:17][CH:18]([N:21]([C:22]([O:23][C:24]([CH3:25])([CH3:26])[CH3:27])=[O:28])[CH3:29])[CH2:19][CH2:20]3)[C:30](=[O:31])[c:32]3[c:33]([Cl:43])[c:34]4[c:35]([s:36]3)[c:37]([F:42])[cH:38][cH:39][c:40]4[F:41])[cH:44]2)[cH:6][n:7]1)[S:55]([CH3:54])(=[O:57])=[O:58]