1,2-Dichloroethane → Tert-butyl (2-{13-cyclohexyl-10-[({[(2,2-dimethoxyethyl)(methyl)amino]sulfonyl}amino)carbonyl]-3-methoxy-6,7-dihydro-5H-indolo[2,1-a][2]benzazepin-6-yl}ethyl)methylcarbamate

HRID 1215958Notes

Reaction equation

HRID 1215958 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]([CH2:9][CH2:10][CH:11]1[CH2:12][n:13]2[c:14]([c:24]([CH:34]3[CH2:35][CH2:36][CH2:37][CH2:38][CH2:39]3)[c:25]3[cH:26][cH:27][c:28]([C:31](=[O:32])[OH:33])[cH:29][c:30]23)-[c:15]2[c:16]([cH:18][c:19]([O:22][CH3:23])[cH:20][cH:21]2)[CH2:17]1)[CH3:40].[CH2:53]([Cl:54])[CH2:55][Cl:56].[CH3:41][O:42][CH:43]([CH2:44][N:45]([S:46](=[O:47])(=[O:48])[NH2:49])[CH3:50])[O:51][CH3:52].[CH3:60][N:61]([c:62]1[cH:63][cH:64][n:65][cH:66][cH:67]1)[CH3:68].[CH3:69][CH2:70][O:71][C:72]([CH3:73])=[O:74].[Cl:57][CH2:58][Cl:59]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]([CH2:9][CH2:10][CH:11]1[CH2:12][n:13]2[c:14]([c:24]([CH:34]3[CH2:35][CH2:36][CH2:37][CH2:38][CH2:39]3)[c:25]3[cH:26][cH:27][c:28]([C:31](=[O:32])[NH:49][S:46]([N:45]([CH2:44][CH:43]([O:42][CH3:41])[O:51][CH3:52])[CH3:50])(=[O:47])=[O:48])[cH:29][c:30]23)-[c:15]2[c:16]([cH:18][c:19]([O:22][CH3:23])[cH:20][cH:21]2)[CH2:17]1)[CH3:40]

Participants

7

Reactant 6

HCID 111,2-DichloroethaneHCID 6344DichloromethaneHCID 8857Ethyl AcetateHCID 142844-(Dimethylamino)pyridineHCID 673450216-{2-[(tert-butoxycarbonyl)(methyl)amino]ethyl}-13-cyclohexyl-3-methoxy-6,7-dihydro-5H-indolo[2,1-a][2]benzazepine-10-carboxylic acidHCID 86627889N-(2,2-dimethoxyethyl)-N-methylsulfamide

Product 1

HCID 67342477Tert-butyl (2-{13-cyclohexyl-10-[({[(2,2-dimethoxyethyl)(methyl)amino]sulfonyl}amino)carbonyl]-3-methoxy-6,7-dihydro-5H-indolo[2,1-a][2]benzazepin-6-yl}ethyl)methylcarbamate

Sources & evidence

ORD record
ord-bb98fdee2c1f4e199c2d29f2df727379
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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