Hydrochloric Acid → HCID 44253869, compound

HRID 175618Notes

Reaction equation

HRID 175618 reaction equation
[CH2:52]([CH3:53])[N:54]=[C:55]=[O:56].[CH3:45][CH2:46][N:47]([CH2:48][CH3:49])[CH2:50][CH3:51].[ClH:1].[ClH:2].[F:3][c:4]1[c:5]([O:6][c:7]2[cH:8][cH:9][n:10][c:11]3[cH:12][c:13]([O:26][CH3:27])[c:14]([C:17](=[O:18])[NH:19][CH:20]4[CH2:21][CH2:22][NH:23][CH2:24][CH2:25]4)[cH:15][c:16]23)[cH:28][cH:29][c:30]([NH:32][C:33](=[S:34])[NH:35][C:36]([CH2:37][c:38]2[cH:39][cH:40][cH:41][cH:42][cH:43]2)=[O:44])[cH:31]1.[O:57]1[CH2:58][CH2:59][CH2:60][CH2:61]1>>[F:3][c:4]1[c:5]([O:6][c:7]2[cH:8][cH:9][n:10][c:11]3[cH:12][c:13]([O:26][CH3:27])[c:14]([C:17](=[O:18])[NH:19][CH:20]4[CH2:21][CH2:22][N:23]([C:55]([NH:54][CH2:52][CH3:53])=[O:56])[CH2:24][CH2:25]4)[cH:15][c:16]23)[cH:28][cH:29][c:30]([NH:32][C:33](=[S:34])[NH:35][C:36]([CH2:37][c:38]2[cH:39][cH:40][cH:41][cH:42][cH:43]2)=[O:44])[cH:31]1

Participants

6

Reactant 5

HCID 313Hydrochloric Acid2×HCID 8022Ethyl isocyanateHCID 8028TetrahydrofuranHCID 8471TriethylamineHCID 86650703HCID 86650703, compound

Product 1

HCID 44253869HCID 44253869, compound

Sources & evidence

ORD record
ord-ab78e99f39e2450d990be1d0aca94aea
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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