Dimethyl Sulfoxide → HCID 178516288, compound

HRID 152983Notes

Reaction equation

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

Participants

Reactant 4

HCID 679Dimethyl Sulfoxide

HCID 6344Dichloromethane

HCID 8471Triethylamine

HCID 22647273HCID 22647273, compound

Product 1

HCID 178516288HCID 178516288, compound

Sources & evidence

ORD record: ord-b012e94b15d2475c9d6fd6efedba1710
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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