Water → HCID 23152635, compound

HRID 196402Notes

Reaction equation

HRID 196402 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][CH2:9][CH2:10][n:11]1[c:12](-[c:30]2[c:31]([CH2:36][OH:37])[cH:32][cH:33][cH:34][cH:35]2)[c:13]([CH:24]2[CH2:25][CH2:26][CH2:27][CH2:28][CH2:29]2)[c:14]2[cH:15][cH:16][c:17]([C:20](=[O:21])[O:22][CH3:23])[cH:18][c:19]12.[CH3:38][CH2:39][N:40]([CH2:41][CH3:42])[CH2:43][CH3:44].[CH3:45][S:46]([Cl:47])(=[O:48])=[O:49].[CH:51]([Cl:52])([Cl:53])[Cl:54].[OH2:50]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][CH2:9][CH2:10][n:11]1[c:12](-[c:30]2[c:31]([CH2:36][O:37][S:46]([CH3:45])(=[O:48])=[O:49])[cH:32][cH:33][cH:34][cH:35]2)[c:13]([CH:24]2[CH2:25][CH2:26][CH2:27][CH2:28][CH2:29]2)[c:14]2[cH:15][cH:16][c:17]([C:20](=[O:21])[O:22][CH3:23])[cH:18][c:19]12

Participants

6

Reactant 5

HCID 962WaterHCID 6212ChloroformHCID 8471TriethylamineHCID 31297Methanesulfonyl chlorideHCID 23152894methyl 1-(2-tert-butoxycarbonylaminoethyl)-3-cyclohexyl-2-(2-hydroxymethylphenyl)-1H-indole-6-carboxylate

Product 1

HCID 23152635HCID 23152635, compound

Sources & evidence

ORD record
ord-40a8ffcd6ccf42608819e4b45550c723
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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