Hydrochloric Acid → alpha-[[2-(Dimethylamino)ethyl]thio]-N-[4-(5H-pyrrolo[2,1-c][1,4]benzodiazepin-10(11H)-ylcarbonyl)phenyl]benzeneacetamide
Reaction equation
[CH3:35][N:36]([CH2:37][CH2:38][SH:39])[CH3:40].[CH3:41][CH2:42][N:43]([CH2:44][CH3:45])[CH2:46][CH3:47].[CH3:48][N:49]1[CH2:50][CH2:51][CH2:52][N:53]([CH3:54])[C:55]1=[O:56].[CH3:57][OH:58].[Cl:1][CH:2]([C:3](=[O:4])[NH:5][c:6]1[cH:7][cH:8][c:9]([C:12](=[O:13])[N:14]2[CH2:15][c:16]3[n:17]([cH:25][cH:26][cH:27]3)[CH2:18][c:19]3[c:20]2[cH:21][cH:22][cH:23][cH:24]3)[cH:10][cH:11]1)[c:28]1[cH:29][cH:30][cH:31][cH:32][cH:33]1.[ClH:34]>>[CH:2]([C:3](=[O:4])[NH:5][c:6]1[cH:7][cH:8][c:9]([C:12](=[O:13])[N:14]2[CH2:15][c:16]3[n:17]([cH:25][cH:26][cH:27]3)[CH2:18][c:19]3[c:20]2[cH:21][cH:22][cH:23][cH:24]3)[cH:10][cH:11]1)([c:28]1[cH:29][cH:30][cH:31][cH:32][cH:33]1)[S:39][CH2:38][CH2:37][N:36]([CH3:35])[CH3:40]Participants
7
Reactant 6
Product 1
Sources & evidence
- ORD record
- ord-a27aeb6f50514ea49370f5f5a0204d72
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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