Water → HCID 58346419, compound

HRID 314314Notes

Reaction equation

HRID 314314 reaction equation
[Cl:1][CH2:2][Cl:3].[Cl:4][c:5]1[cH:6][c:7]([NH:19][c:20]2[n:21][cH:22][n:23][c:24]3[c:25]2[c:26]2[c:27]([s:38]3)-[c:28]3[cH:29][n:30][n:31]([CH2:35][CH2:36][OH:37])[c:32]3[CH2:33][CH2:34]2)[cH:8][cH:9][c:10]1[O:11][CH2:12][c:13]1[n:14][cH:15][cH:16][cH:17][cH:18]1.[OH2:43].[S:39]([Br:40])([Br:41])=[O:42]>>[Cl:4][c:5]1[cH:6][c:7]([NH:19][c:20]2[n:21][cH:22][n:23][c:24]3[c:25]2[c:26]2[c:27]([s:38]3)-[c:28]3[cH:29][n:30][n:31]([CH2:35][CH2:36][Br:41])[c:32]3[CH2:33][CH2:34]2)[cH:8][cH:9][c:10]1[O:11][CH2:12][c:13]1[n:14][cH:15][cH:16][cH:17][cH:18]1

Participants

5

Reactant 4

HCID 962WaterHCID 6344DichloromethaneHCID 68176Thionyl bromideHCID 58346589HCID 58346589, compound

Product 1

HCID 58346419HCID 58346419, compound

Sources & evidence

ORD record
ord-e6f40079a1bb4c57a55b5284ef71fedc
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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