Hydrochloric Acid → ethyl 4-[(5-chloro-1H-indole-2-carbonyl)amino]-3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexane-1-carboxylate

HRID 1117974Notes

Reaction equation

HRID 1117974 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][CH:9]1[CH:10]([NH2:20])[CH2:11][CH2:12][CH:13]([C:15](=[O:16])[O:17][CH2:18][CH3:19])[CH2:14]1.[CH3:46][N:47]([CH3:48])[CH2:49][CH2:50][CH2:51][N:52]=[C:53]=[N:54][CH2:55][CH3:56].[Cl:21][c:22]1[cH:23][c:24]2[cH:25][c:26]([C:31](=[O:32])[OH:33])[nH:27][c:28]2[cH:29][cH:30]1.[Cl:58][CH2:59][Cl:60].[ClH:45].[ClH:57].[OH2:34].[OH:35][n:36]1[c:37]2[cH:38][cH:39][cH:40][cH:41][c:42]2[n:43][n:44]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][CH:9]1[CH:10]([NH:20][C:31]([c:26]2[cH:25][c:24]3[cH:23][c:22]([Cl:21])[cH:30][cH:29][c:28]3[nH:27]2)=[O:32])[CH2:11][CH2:12][CH:13]([C:15](=[O:16])[O:17][CH2:18][CH3:19])[CH2:14]1

Participants

8

Reactant 7

HCID 313Hydrochloric Acid2×HCID 962WaterHCID 6344DichloromethaneHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 757711-HydroxybenzotriazoleHCID 826935-Chloro-1H-indole-2-carboxylic acidHCID 68604200(1S,3R,4S)-4-Amino-3-(Boc-amino)-cyclohexane-carboxylic acid ethyl ester

Product 1

HCID 68590514ethyl 4-[(5-chloro-1H-indole-2-carbonyl)amino]-3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexane-1-carboxylate

Sources & evidence

ORD record
ord-41903f38bfdd44d0bdc1ece1d12d2051
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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