Water → [2-(4-{[(2-t-Butoxycarbonylaminophenyl)amino]carbonyl}phenyl)-1,3-thiazol-5-yl]methyl phenylcarbamate

HRID 179587Notes

Reaction equation

HRID 179587 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][c:9]1[c:10]([NH:15][C:16]([c:17]2[cH:18][cH:19][c:20]([B:23]3[O:24][C:25]([CH3:26])([CH3:27])[C:28]([CH3:29])([CH3:30])[O:31]3)[cH:21][cH:22]2)=[O:32])[cH:11][cH:12][cH:13][cH:14]1.[C:51]([O:52][CH2:53][CH3:54])(=[O:55])[CH3:56].[OH2:50].[c:33]1([NH:39][C:40]([O:41][CH2:42][c:43]2[cH:44][n:45][c:46]([Cl:48])[s:47]2)=[O:49])[cH:34][cH:35][cH:36][cH:37][cH:38]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][c:9]1[c:10]([NH:15][C:16]([c:17]2[cH:18][cH:19][c:20](-[c:46]3[n:45][cH:44][c:43]([CH2:42][O:41][C:40]([NH:39][c:33]4[cH:34][cH:35][cH:36][cH:37][cH:38]4)=[O:49])[s:47]3)[cH:21][cH:22]2)=[O:32])[cH:11][cH:12][cH:13][cH:14]1

Participants

5

Reactant 4

HCID 962WaterHCID 8857Ethyl AcetateHCID 1479740(2-chloro-1,3-thiazol-5-yl)methyl N-phenylcarbamateHCID 59830883N-(2-t-Butoxycarbonylaminophenyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide

Product 1

HCID 68407987[2-(4-{[(2-t-Butoxycarbonylaminophenyl)amino]carbonyl}phenyl)-1,3-thiazol-5-yl]methyl phenylcarbamate

Sources & evidence

ORD record
ord-8487f8d6f8764964837cbd40a0cd816a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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