HRID809525

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID679

Dimethyl sulfoxide

C2H6OS

HCID6342

Acetonitrile

C2H3N

HCID6344

Dichloromethane

CH2Cl2

HCID8058

Hexane

C6H14

HCID8471

Triethylamine

C6H15N

HCID8857

Ethyl Acetate

C4H8O2

HCID2776207

(1-Methyl-1H-Pyrrol-2-Yl)Methylamine

C6H10N2

HCID68687149

未命名化合物

PRODUCTS

产物

HCID11999854

N-[(1-Methyl-1H-pyrrol-2-yl)methyl]-10-[(2,2',6'-trimethyl-1,1'-biphenyl-4-yl)carbonyl]-10,11-dihydro-5H-pyrrolo[2,1-c][1,4]benzodiazepine-3-carboxamide

C35H34N4O2

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-01c4de404d5c498796e59e2392139b9c
来源数据集: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Test data from https://doi.org/10.1039/C8SC04228D

反应SMILES

[C:69]([O:70][CH2:71][CH3:72])(=[O:73])[CH3:74].[CH2:50]([N:51]([CH2:52][CH3:53])[CH2:54][CH3:55])[CH3:56].[CH3:38][n:39]1[c:40]([CH2:44][NH2:45])[cH:41][cH:42][cH:43]1.[CH3:46][S:47]([CH3:48])=[O:49].[CH3:57][C:58]#[N:59].[CH3:63][CH2:64][CH2:65][CH2:66][CH2:67][CH3:68].[Cl:1][C:2]([C:3](=[O:4])[c:5]1[cH:6][cH:7][c:8]2[n:14]1[CH2:13][c:12]1[c:11]([cH:18][cH:17][cH:16][cH:15]1)[N:10]([C:19](=[O:20])[c:21]1[cH:22][c:23]([CH3:35])[c:24](-[c:27]3[c:28]([CH3:34])[cH:29][cH:30][cH:31][c:32]3[CH3:33])[cH:25][cH:26]1)[CH2:9]2)([Cl:36])[Cl:37].[Cl:60][CH2:61][Cl:62]>>[C:3](=[O:4])([c:5]1[cH:6][cH:7][c:8]2[n:14]1[CH2:13][c:12]1[c:11]([cH:18][cH:17][cH:16][cH:15]1)[N:10]([C:19](=[O:20])[c:21]1[cH:22][c:23]([CH3:35])[c:24](-[c:27]3[c:28]([CH3:34])[cH:29][cH:30][cH:31][c:32]3[CH3:33])[cH:25][cH:26]1)[CH2:9]2)[NH:45][CH2:44][c:40]1[n:39]([CH3:38])[cH:43][cH:42][cH:41]1