Hydrochloric Acid → HCID 68687112, compound

HRID 2333576Notes

Reaction equation

HRID 2333576 reaction equation
[CH3:54][CH2:55][N:56]([CH2:57][CH3:58])[CH2:59][CH3:60].[CH3:61][S:62]([CH3:63])=[O:64].[CH3:65][C:66]#[N:67].[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][cH:23][c:24](-[c:27]3[c:28]([O:33][CH3:34])[cH:29][cH:30][cH:31][cH:32]3)[cH:25][cH:26]1)[CH2:9]2)([Cl:35])[Cl:36].[ClH:37].[ClH:38].[ClH:39].[n:40]1[cH:41][c:42]([CH:46]([CH2:47][NH2:48])[N:49]2[CH2:50][CH2:51][CH2:52][CH2:53]2)[cH:43][cH:44][cH:45]1>>[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][cH:23][c:24](-[c:27]3[c:28]([O:33][CH3:34])[cH:29][cH:30][cH:31][cH:32]3)[cH:25][cH:26]1)[CH2:9]2)[NH:48][CH2:47][CH:46]([c:42]1[cH:41][n:40][cH:45][cH:44][cH:43]1)[N:49]1[CH2:50][CH2:51][CH2:52][CH2:53]1

Participants

7

Reactant 6

HCID 313Hydrochloric Acid3×HCID 679Dimethyl SulfoxideHCID 6342AcetonitrileHCID 8471TriethylamineHCID 37247532-(3-Pyridyl)-2-pyrrolidinylethylamineHCID 160384072,2,2-trichloro-1-{10-[(2'-methoxy-1,1'-biphenyl-4-yl)carbonyl]-10,11-dihydro-5H-pyrrolo[2,1-c][1,4]benzodiazepin-3-yl}ethanone

Product 1

HCID 68687112HCID 68687112, compound

Sources & evidence

ORD record
ord-efcb182124b84396b6a7364039ddbaf3
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

Loading…