Ethanol → HCID 178452061, compound

HRID 1121618Notes

Reaction equation

HRID 1121618 reaction equation
[CH3:34][CH2:35][OH:36].[IH:1].[NH2:11][c:12]1[cH:13][cH:14][c:15]2[c:16]([cH:33]1)[S:17][CH2:18][CH2:19][N:20]2[CH:21]1[CH2:22][N:23]([C:26](=[O:27])[O:28][C:29]([CH3:30])([CH3:31])[CH3:32])[CH2:24][CH2:25]1.[s:2]1[c:3]([C:7](=[NH:8])[S:9][CH3:10])[cH:4][cH:5][cH:6]1>>[s:2]1[c:3]([C:7](=[NH:8])[NH:11][c:12]2[cH:13][cH:14][c:15]3[c:16]([cH:33]2)[S:17][CH2:18][CH2:19][N:20]3[CH:21]2[CH2:22][N:23]([C:26](=[O:27])[O:28][C:29]([CH3:30])([CH3:31])[CH3:32])[CH2:24][CH2:25]2)[cH:4][cH:5][cH:6]1

Participants

5

Reactant 4

HCID 702EthanolHCID 24841Hydrogen iodideHCID 10487134Methyl thiophene-2-carbimidothioateHCID 59144157tert-Butyl 3-(7-amino-2H-benzo[b][1,4]thiazin-4(3H)-yl)pyrrolidine-1-carboxylate

Product 1

HCID 178452061HCID 178452061, compound

Sources & evidence

ORD record
ord-bbea39a83c3245a189601aacc34b40b3
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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