1,2-Dichloroethane → tert-butyl {2-[({13-cyclohexyl-10-[({[(2,2-dimethoxyethyl)(methyl)amino]sulfonyl}-amino)carbonyl]-5-methyl-6,7-dihydro-5H-indolo[1,2-d][1,4]benzodiazepin-6-yl}methyl)(methyl)amino]ethyl}methylcarbamate

HRID 1223091Notes

Reaction equation

HRID 1223091 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]([CH2:9][CH2:10][N:11]([CH3:12])[CH2:13][CH:14]1[N:15]([CH3:41])[c:16]2[c:17]([cH:37][cH:38][cH:39][cH:40]2)-[c:18]2[n:19]([c:21]3[cH:22][c:23]([C:34](=[O:35])[OH:36])[cH:24][cH:25][c:26]3[c:27]2[CH:28]2[CH2:29][CH2:30][CH2:31][CH2:32][CH2:33]2)[CH2:20]1)[CH3:42].[CH2:55]([Cl:56])[CH2:57][Cl:58].[CH3:43][O:44][CH:45]([CH2:46][N:47]([S:48](=[O:49])(=[O:50])[NH2:51])[CH3:52])[O:53][CH3:54].[CH3:59][N:60]([c:61]1[cH:62][cH:63][n:64][cH:65][cH:66]1)[CH3:67].[Cl:68][CH2:69][Cl:70]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]([CH2:9][CH2:10][N:11]([CH3:12])[CH2:13][CH:14]1[N:15]([CH3:41])[c:16]2[c:17]([cH:37][cH:38][cH:39][cH:40]2)-[c:18]2[n:19]([c:21]3[cH:22][c:23]([C:34](=[O:36])[NH:51][S:48]([N:47]([CH2:46][CH:45]([O:44][CH3:43])[O:53][CH3:54])[CH3:52])(=[O:49])=[O:50])[cH:24][cH:25][c:26]3[c:27]2[CH:28]2[CH2:29][CH2:30][CH2:31][CH2:32][CH2:33]2)[CH2:20]1)[CH3:42]

Participants

6

Reactant 5

HCID 111,2-DichloroethaneHCID 6344DichloromethaneHCID 142844-(Dimethylamino)pyridineHCID 673439786-{[{2-[(tert-butoxycarbonyl)(methyl)amino]ethyl}(methyl)amino]methyl}-13-cyclohexyl-5-methyl-6,7-dihydro-5H-indolo[1,2-d][1,4]benzodiazepine-10-carboxylic acidHCID 86627889N-(2,2-dimethoxyethyl)-N-methylsulfamide

Product 1

HCID 67344855tert-butyl {2-[({13-cyclohexyl-10-[({[(2,2-dimethoxyethyl)(methyl)amino]sulfonyl}-amino)carbonyl]-5-methyl-6,7-dihydro-5H-indolo[1,2-d][1,4]benzodiazepin-6-yl}methyl)(methyl)amino]ethyl}methylcarbamate

Sources & evidence

ORD record
ord-56274267a673433a86e8cc9a9f51185a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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