1,2-Dichloroethane → HCID 91436129, compound

HRID 2344728Notes

Reaction equation

HRID 2344728 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[Si:5]([O:6][CH2:7][CH2:8][N:9]([CH2:10][CH2:11][c:12]1[cH:13][nH:14][c:15]2[cH:16][cH:17][cH:18][cH:19][c:20]12)[CH2:21][c:22]1[cH:23][cH:24][c:25]([S:28](=[O:29])(=[O:30])[n:31]2[cH:32][c:33]([CH:36]=[CH:37][C:38](=[O:39])[OH:40])[cH:34][cH:35]2)[cH:26][cH:27]1)([CH3:41])[CH3:42].[CH2:54]([Cl:55])[CH2:56][Cl:57].[CH3:72][CH2:73][N:74]([CH2:75][CH3:76])[CH2:77][CH3:78].[ClH:58].[O:59]1[CH:60]([O:65][NH2:66])[CH2:61][CH2:62][CH2:63][CH2:64]1.[O:67]=[CH:68][N:69]([CH3:70])[CH3:71].[OH2:53].[OH:43][n:44]1[c:45]2[c:46]([cH:47][cH:48][cH:49][cH:50]2)[n:51][n:52]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[Si:5]([O:6][CH2:7][CH2:8][N:9]([CH2:10][CH2:11][c:12]1[cH:13][nH:14][c:15]2[cH:16][cH:17][cH:18][cH:19][c:20]12)[CH2:21][c:22]1[cH:23][cH:24][c:25]([S:28](=[O:29])(=[O:30])[n:31]2[cH:32][c:33]([CH:36]=[CH:37][C:38](=[O:39])[NH:66][O:65][CH:60]3[O:59][CH2:64][CH2:63][CH2:62][CH2:61]3)[cH:34][cH:35]2)[cH:26][cH:27]1)([CH3:41])[CH3:42]

Participants

9

Reactant 8

HCID 111,2-DichloroethaneHCID 313Hydrochloric AcidHCID 962WaterHCID 6228DimethylformamideHCID 8471TriethylamineHCID 757711-HydroxybenzotriazoleHCID 5142091O-(Tetrahydropyran-2-yl)hydroxylamineHCID 666463953-[1-[4-[[2-[tert-butyl(dimethyl)silyl]oxyethyl-[2-(1H-indol-3-yl)ethyl]amino]methyl]phenyl]sulfonylpyrrol-3-yl]prop-2-enoic acid

Product 1

HCID 91436129HCID 91436129, compound

Sources & evidence

ORD record
ord-8f768b13455147fda87fc7fd9dded1e3
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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